3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine

C13H18F2N2O — CID 126954339

IUPAC3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine
SMILESCC(C)(C)c1ccc(OCC2CC(F)(F)C2)nn1
InChIInChI=1S/C13H18F2N2O/c1-12(2,3)10-4-5-11(17-16-10)18-8-9-6-13(14,15)7-9/h4-5,9H,6-8H2,1-3H3
InChIKeyWZYKCPSYTJWODM-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.20
Rot. Bonds3

About 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine

3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine (PubChem CID 126954339) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine
PubChem CID126954339
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine
SMILESCC(C)(C)c1ccc(OCC2CC(F)(F)C2)nn1
InChIInChI=1S/C13H18F2N2O/c1-12(2,3)10-4-5-11(17-16-10)18-8-9-6-13(14,15)7-9/h4-5,9H,6-8H2,1-3H3
InChIKeyWZYKCPSYTJWODM-UHFFFAOYSA-N
XLogP3.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine
CID 154575296
5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154575348
1-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 154576070
[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 154576100
6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one
CID 126954698
3-[2-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 154576053
6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine
CID 177245310
3-bromo-6-(cyclopropylmethoxy)pyridazine
CID 169494579
3-tert-butyl-6-pyrrolidin-3-yloxypyridazine
CID 134595575
3-tert-butyl-6-[(3R)-piperidin-3-yl]oxypyridazine
CID 145198145
3-[(5-bromo-6-methyl-2-pyridinyl)oxymethyl]-1-methylcyclobutan-1-ol
CID 118086614
1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
CID 114225343

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine?
The IUPAC name of 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine (CID 126954339) is 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine.
What is the SMILES notation for 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine?
The canonical SMILES for 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine is CC(C)(C)c1ccc(OCC2CC(F)(F)C2)nn1.
What is the InChIKey of 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine?
The InChIKey is WZYKCPSYTJWODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-12(2,3)10-4-5-11(17-16-10)18-8-9-6-13(14,15)7-9/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine?
3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine has a molecular weight of 256.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine is sourced from PubChem (CID 126954339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).